4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide

C18H26N2O — CID 10636979

IUPAC4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
SMILESCCC1=CCN(NC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-5-14-10-12-20(13-11-14)19-17(21)15-6-8-16(9-7-15)18(2,3)4/h6-10H,5,11-13H2,1-4H3,(H,19,21)
InChIKeyLKWDRIPIICJIIY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds3

About 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide

4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide (PubChem CID 10636979) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
PubChem CID10636979
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
SMILESCCC1=CCN(NC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-5-14-10-12-20(13-11-14)19-17(21)15-6-8-16(9-7-15)18(2,3)4/h6-10H,5,11-13H2,1-4H3,(H,19,21)
InChIKeyLKWDRIPIICJIIY-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide (CID 10636979) is 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide is CCC1=CCN(NC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The InChIKey is LKWDRIPIICJIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-14-10-12-20(13-11-14)19-17(21)15-6-8-16(9-7-15)18(2,3)4/h6-10H,5,11-13H2,1-4H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide is sourced from PubChem (CID 10636979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).